丙炔基对甲氧基苯甲酸
TL;DR: 丙炔基对甲氧基苯甲酸 (CAS 101532-23-4) is a chemical compound with molecular formula C11H10O3 and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙炔基对甲氧基苯甲酸
prop-2-ynyl 4-methoxybenzoate
Also Known As: prop-2-ynyl 4-methoxybenzoate, prop-2-yn-1-yl 4-methoxybenzoate, propargyl p-methoxybenzoate, Propynyl 4-methoxybenzoate, Propynyl p-methoxybenzoic acid
| Molecular Formula | C11H10O3 |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.06299 |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 101532-23-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)OCC#C |
| InChIKey | LYTIBVJBIRGRAK-UHFFFAOYSA-N |
Product Overview
丙炔基对甲氧基苯甲酸 (CAS 101532-23-4), with molecular formula C11H10O3 and molecular weight 190.06 g/mol. IUPAC: prop-2-ynyl 4-methoxybenzoate.
Chemical Property Profile of 丙炔基对甲氧基苯甲酸
Property Insights of 丙炔基对甲氧基苯甲酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙炔基对甲氧基苯甲酸. With a topological polar surface area (TPSA) of 35.5 Ų, 丙炔基对甲氧基苯甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丙炔基对甲氧基苯甲酸 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 丙炔基对甲氧基苯甲酸?
The CAS number of 丙炔基对甲氧基苯甲酸 is 101532-23-4.
What is the molecular formula of 丙炔基对甲氧基苯甲酸?
The molecular formula of 丙炔基对甲氧基苯甲酸 is C11H10O3.
What is the molecular weight of 丙炔基对甲氧基苯甲酸?
The molecular weight of 丙炔基对甲氧基苯甲酸 is 190.06 g/mol.
Where can I buy 丙炔基对甲氧基苯甲酸?
You can request a quote for 丙炔基对甲氧基苯甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丙炔基对甲氧基苯甲酸?
Yes, KEHONG BIO provides custom synthesis services for 丙炔基对甲氧基苯甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.